General Information of the Compound
| Compound ID |
CP0532091
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| Compound Name |
6,7-dialkoxyquinoline-3-carbonitrile deriv. 40
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| Structure |
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| Formula |
C20H18N4O3
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| Molecular Weight |
362.389
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3cccc(NC(C)=O)c3)c2cc1OC
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| InChI |
InChI=1S/C20H18N4O3/c1-12(25)23-14-5-4-6-15(7-14)24-20-13(10-21)11-22-17-9-19(27-3)18(26-2)8-16(17)20/h4-9,11H,1-3H3,(H,22,24)(H,23,25)
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| InChIKey |
ADTHOQASRLCLRF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound